N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

C18H28N4O3 — CID 111497013

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)Nc2oc(C)c(C)c2C#N)CC1
InChIInChI=1S/C18H28N4O3/c1-5-15(11-23)22-8-6-21(7-9-22)13(3)17(24)20-18-16(10-19)12(2)14(4)25-18/h13,15,23H,5-9,11H2,1-4H3,(H,20,24)
InChIKeyAMAHOYQLYSYGQT-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.48
Rot. Bonds6

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (PubChem CID 111497013) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
PubChem CID111497013
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)Nc2oc(C)c(C)c2C#N)CC1
InChIInChI=1S/C18H28N4O3/c1-5-15(11-23)22-8-6-21(7-9-22)13(3)17(24)20-18-16(10-19)12(2)14(4)25-18/h13,15,23H,5-9,11H2,1-4H3,(H,20,24)
InChIKeyAMAHOYQLYSYGQT-UHFFFAOYSA-N
XLogP1.48
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 86918779
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 32720606
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 78857275
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
CID 87016782
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
2-methylpropyl N-(3-cyano-4,5-dimethylfuran-2-yl)carbamate
CID 108740181
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]butanoic acid
CID 91160673
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46304609
N-(2-chloro-3-pyridinyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497048
(2R)-2-amino-3-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61146954
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789579

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (CID 111497013) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is CCC(CO)N1CCN(C(C)C(=O)Nc2oc(C)c(C)c2C#N)CC1.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The InChIKey is AMAHOYQLYSYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-15(11-23)22-8-6-21(7-9-22)13(3)17(24)20-18-16(10-19)12(2)14(4)25-18/h13,15,23H,5-9,11H2,1-4H3,(H,20,24).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 111497013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).